2-dimethylaminoethyl 4-[(E)-2-[(4-butylphenyl)carbonylamino]ethenyl]benzoate hydrochloride

Systemtic Name: 2-dimethylaminoethyl 4-[(E)-2-[(4-butylphenyl)carbonylamino]ethenyl]benzoate hydrochloride Openeye Name: 2-dimethylaminoethyl 4-[(E)-2-[(4-butylbenzoyl)amino]vinyl]benzoate hydrochloride CAS Name: 4-[(E)-2-[[(4-butylphenyl)-oxomethyl]amino]ethenyl]benzoic acid 2-dimethylaminoethyl ester hydrochloride IUPAC Name: 2-dimethylaminoethyl 4-[(E)-2-[(4-butylbenzoyl)amino]ethenyl]benzoate hydrochloride Traditional Name: 4-[(E)-2-[(4-butylbenzoyl)amino]vinyl]benzoic acid 2-dimethylaminoethyl ester hydrochloride Formula: C24H31ClN2O3 MolecularWeight: 430.96754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC=CC2=CC=C(C=C2)C(=O)OCCN(C)C.Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N/C=C/C2=CC=C(C=C2)C(=O)OCCN(C)C.Cl

InChI

InChI=1S/C24H30N2O3.ClH/c1-4-5-6-19-7-11-21(12-8-19)23(27)25-16-15-20-9-13-22(14-10-20)24(28)29-18-17-26(2)3;/h7-16H,4-6,17-18H2,1-3H3,(H,25,27);1H/b16-15+;